SCHEMBL24938004

SCHEMBL24938004

CCCC(C)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.83
▸ FLT3 P36888 2/20 0.73
▸ KIT P10721 1/20 0.73
▸ EGFR P00533 4/20 0.72
▸ ITK Q08881 3/20 0.72
▸ LCK P06239 2/20 0.72
▸ TEC P42680 3/20 0.72
▸ BMX P51813 3/20 0.72
▸ TXK P42681 2/20 0.72
▸ LYN P07948 2/20 0.72
▸ FGFR2 P21802 2/20 0.72
▸ RIPK2 O43353 1/20 0.72
▸ NR1I2 O75469 1/20 0.72
▸ SLC22A3 O75751 1/20 0.72
▸ LATS1 O95835 1/20 0.72
▸ NUDT14 O95848 1/20 0.72
▸ ABL1 P00519 1/20 0.72
▸ ERBB2 P04626 1/20 0.72
▸ FYN P06241 1/20 0.72
▸ PGR P06401 1/20 0.72

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30356827 0.92 BTK (0.83) BTKFLT3KITEGFRITK
SCHEMBL25735923 0.91 BTK (0.89) BTKFLT3EGFRITKLCK
SCHEMBL17951509 0.91 BTK (1.00) BTKFLT3KITEGFRITK
SCHEMBL17951543 0.91 BTK (1.00) BTKFLT3EGFRITKLCK
SCHEMBL30615739 0.91 BTK (1.00) BTKFLT3EGFRITKLCK
SCHEMBL19638204 0.91 BTK (1.00) BTKFLT3EGFRITKLCK
SCHEMBL3362994 0.91 BTK (1.00) BTKFLT3KITEGFRITK
SCHEMBL13337309 0.90 BTK (0.84) BTKFLT3KITEGFRITK
SCHEMBL22625449 0.90 BTK (0.87) BTKFLT3KITEGFRITK
SCHEMBL22625457 0.90 BTK (0.87) BTKFLT3KITEGFRITK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023284703-A1 PROTEIN DEGRADATION COMPOUND DESIGNED ON THE BASIS OF BRUTON'S TYROSINE KINASE LIGAND AND APPLICATION THEREOF 标新生物医药科技(上海)有限公司 2023-01-19 — — WO disclosed
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